Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics. - Paulo Siani; Himanshu Khandelia; M. Orsi; Luis Gustavo Dias (J. Comput. Aided Mol. Des., 2018)

Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles. - Rafael Maglia de Souza; R. H. Ratochinski; Mikko Karttunen; Luis Gustavo Dias (J. Chem. Inf. Model., 2020)

Molecular Dynamics Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate) Ternary Electrolyte for Sodium and Potassium Ion Batteries. - Rafael Maglia de Souza; Leonardo José Amaral de Siqueira; Mikko Karttunen; Luis Gustavo Dias (J. Chem. Inf. Model., 2020)

Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. - Alex S. Moraes; Gabriel A. Pinheiro; Tuanan C. Lourenço; Mauro C. Lopes; Marcos G. Quiles; Luis Gustavo Dias; Juarez L. F. Da Silva (J. Chem. Inf. Model., 2022)